Search results for "Structure property"
showing 6 items of 6 documents
Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors
2016
The in silico VolSurfþ descriptors, accounting for both cationic and anionic structural features of ionic liquids (ILs) were used to develop a Partial Least Squares (PLS) model able to establish a Quantitative Structure Property Relationship (QSPR) correlation with their solvatochromic dye Nile Red polarity. The PLS model allowed prediction of ENR values for 116 ILs providing an in silico ILs polarity database.
Structure-property relationship of PLA-Opuntia Ficus Indica biocomposites
2019
Abstract In this work, a lignocellulosic flour was achieved by grinding the cladodes of Opuntia Ficus Indica and then added to a poly-lactic acid (PLA) in order to prepare biocomposites by melt processing. The influence of filler content and size on the morphological, rheological, and mechanical properties of the green composites was assessed. Moreover, solvent-aided filler extraction enabled to evaluate the homogeneity of filler dispersion, as well as the effect of processing on the geometrical features of the fillers. The experimental data obtained by tensile tests proved to be remarkably higher than those predicted by Halpin–Tsai model, presumably due to the capability of the polymer to …
Overcoming the PEG-addiction: well-defined alternatives to PEG from structure-property relationships to better defined therapeutics
2011
Synthetic methods in polymer chemistry have evolved tremendously during the last decade. Nowadays more and more attention is devoted to the application of those tools in the development of the next generation of nanomedicines. Nevertheless, poly(ethylene glycol) (PEG) remains the most frequently used polymer for biomedical applications. In this review, we try to summarize recent efforts and developments in controlled polymerisation techniques that may allow alternatives to PEG based systems and can be used to improve the properties of future polymer therapeutics.
Nonclassical crystallization in vivo et in vitro (I): Process-structure-property relationships of nanogranular biominerals.
2016
A distinct nanogranular fine structure is shared by a wealth of biominerals from several species, classes and taxa. This nanoscopic organization affects the properties and behavior of the biogenic ceramic material and confers on them attributes that are essential to their function. We present a set of structure-relationship properties that are rooted in the nanogranular organization and we propose that they rest on a common pathway of formation, a colloid-driven and hence nonclassical mode of crystallization. With this common modus operandi, we reveal the most fundamental and wide spread process-structure-property relationship in biominerals. With the recent increase in our understanding of…
Structure–Property Relationships in Bionanocomposites for Pipe Extrusion Applications
2021
In this work, bionanocomposites based on different biodegradable polymers and two types of nanofillers, namely a nanosized calcium carbonate and an organomodified nanoclay, were produced through melt extrusion, with the aim to evaluate the possible applications of these materials as a potential alternative to traditional fossil fuel-derived polyolefins, for the production of irrigation pipes. The rheological behavior of the formulated systems was thoroughly evaluated by exploiting different flow regimes, and the obtained results indicated a remarkable effect of the introduced nanofillers on the low-frequency rheological response, especially in nanoclay-based bionanocomposites. Conversely, t…
Structure-property relationships in aromatic thioethers featuring aggregation-induced emission : Solid-state structures and theoretical analysis
2019
We describe in this paper a structure–property relationship study of aromatic thioethers with aggregation-induced emission (AIE) properties. We combine a structural analysis based on geometrical consideration with an in-depth analysis of the crystalline packing supported by quantum mechanical calculations. Our results allow us to correlate the enhanced fluorescence quantum yields with the significant increase of C–H⋯π and the decrease of π⋯π interactions in the solid state – a result which supports the well-accepted AIE mechanism quantitatively.